4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[(4-bromanyl-2-fluoranyl-phenyl)methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4-bromo-2-fluoro-phenyl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4-bromo-2-fluorophenyl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4-bromo-2-fluorophenyl)methyl]piperazin-4-ium-2-one Traditional Name: 4-(4-bromo-2-fluoro-benzyl)piperazin-4-ium-2-one Formula: C11H13BrFN2O+ MolecularWeight: 288.136123

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C11H12BrFN2O/c12-9-2-1-8(10(13)5-9)6-15-4-3-14-11(16)7-15/h1-2,5H,3-4,6-7H2,(H,14,16)/p+1